MMsINC Database Search


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MMsINC code: MMs00986273

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₃

SMILES:

Clc1ccc(N(C(=O)COC2=CC(=O)N(c3c2cccc3)C)C)cc1

InChI:

InChI=1/C19H17ClN2O3/c1-21(14-9-7-13(20)8-10-14)19(24)12-25-17-11-18(23)22(2)16-6-4-3-5-15(16)17/h3-11H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.165 kcal/mol

Physical Properties
Molecular Weight: 356.809 g/mol	logS: -4.82034	SlogP: 3.3369	Reactive groups: 0

Topological Properties
Globularity: 0.0294967	Sterimol/B1: 3.27812	Sterimol/B2: 3.39158	Sterimol/B3: 3.51796
Sterimol/B4: 7.17	Sterimol/L: 18.2636

Surface and Volume Properties
Accessible surface: 610.498	Positive charged surface: 345.471	Negative charged surface: 265.027	Volume: 326.625
Hydrophobic surface: 534.668	Hydrophilic surface: 75.83

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.